Monte Carlo simulation of supercooled liquids using a self-consistent local temperature |
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Authors: | Ralph V. Chamberlin Kurt J. Stangel |
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Affiliation: | Department of Physics and Astronomy, Arizona State University, Tempe, AZ 85287-1504, USA |
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Abstract: | ![]() We combine Creutz energy conservation with Kawasaki spin exchange to simulate the microcanonical dynamics of a system of interacting particles. Relaxation occurs via Glauber spin-flip activation using a self-consistent temperature. Heterogeneity in the dynamics comes from finite-size constraints on the spin exchange that yield a distribution of correlated regions. The simulation produces a high-frequency response that can be identified with the boson peak, and a lower-frequency peak that contains non-Debye relaxation and non-Arrhenius activation, similar to the primary response of supercooled liquids. |
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Keywords: | Nanothermodynamics Supercooled liquids Monte Carlo simulation Microcanonical ensemble |
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